%chk=000277481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277481

0 1
O 5.018805 -0.881170 -0.504718
O 1.752760 2.370563 -1.991561
O -0.168256 1.411038 -1.761531
N 1.032560 1.493837 -1.550267
N -1.108183 -0.376428 3.059942
C -0.525177 -0.070297 0.524387
C -1.369428 -1.036523 -0.344235
C 0.950173 -0.290895 0.258989
C -2.816084 -0.622030 -0.367346
C 1.669006 0.443830 -0.704880
C 1.645136 -1.279016 0.979961
C 3.030363 0.227144 -0.930679
C 3.000532 -1.526714 0.773280
C -3.757685 -1.275474 0.439484
C -3.222791 0.429240 -1.204065
C 3.690729 -0.765682 -0.183090
C -0.843351 -0.244677 1.943695
C -5.099316 -0.882969 0.402874
C -4.563939 0.816503 -1.236071
C -5.504800 0.160583 -0.434287
C 5.809789 -1.857578 0.219589
H -0.818854 0.990036 0.246302
H -1.254019 -2.078002 0.013890
H -0.963769 -1.027963 -1.381280
H 1.110876 -1.874024 1.727844
H 3.589007 0.817653 -1.666186
H 3.504151 -2.298401 1.352195
H -3.449104 -2.083384 1.100030
H -2.488058 0.945610 -1.826181
H -5.828631 -1.391152 1.031766
H -4.877047 1.632002 -1.886417
H -6.549282 0.464077 -0.460953
H 5.831098 -1.616402 1.286226
H 6.801029 -1.713691 -0.234228
H 5.436461 -2.867646 0.029422


%chk=000277481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277481

0 1
O 5.131317 -0.956241 -0.464040
O 1.990313 2.344546 -2.222302
O -0.101559 1.553071 -1.821444
N 1.182800 1.519749 -1.650742
N -1.169103 -0.407593 3.014328
C -0.519667 0.001119 0.456888
C -1.393916 -0.937133 -0.470457
C 0.979113 -0.222090 0.212214
C -2.875230 -0.599846 -0.417726
C 1.757968 0.468988 -0.766873
C 1.673512 -1.187449 0.980061
C 3.130206 0.214787 -0.962064
C 3.040208 -1.477133 0.796869
C -3.768694 -1.347648 0.389678
C -3.381493 0.492797 -1.170465
C 3.778542 -0.768769 -0.185585
C -0.867523 -0.218299 1.875684
C -5.141404 -1.015132 0.443539
C -4.752543 0.826540 -1.117714
C -5.637253 0.073049 -0.310394
C 5.858709 -1.961469 0.321996
H -0.794483 1.038822 0.197910
H -1.211963 -1.985434 -0.170715
H -1.005895 -0.801738 -1.494710
H 1.124358 -1.721716 1.762913
H 3.691026 0.779908 -1.709665
H 3.513454 -2.239073 1.422572
H -3.388737 -2.189969 0.980813
H -2.698464 1.075350 -1.800752
H -5.820504 -1.601832 1.072240
H -5.131539 1.669277 -1.706837
H -6.701453 0.331320 -0.270215
H 5.856124 -1.704918 1.398473
H 6.887148 -1.932473 -0.064331
H 5.431327 -2.971373 0.172754


